4-丁基苯甲酸甲酯
TL;DR: 4-丁基苯甲酸甲酯 (CAS 20651-69-8) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-丁基苯甲酸甲酯
methyl 4-butylbenzoate
Also Known As: Methyl 4-butylbenzoate, METHYL4-BUTYLBENZOATE, Methyl p-butylbenzoate, Benzoic acid, 4-butyl-, methyl ester, methyl 4-n-butylbenzoate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 20651-69-8 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C(=O)OC |
| InChIKey | XJRYQLPELPLPHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-丁基苯甲酸甲酯 (CAS 20651-69-8), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: methyl 4-butylbenzoate.
Chemical Property Profile of 4-丁基苯甲酸甲酯
Property Insights of 4-丁基苯甲酸甲酯
The XLogP value of 4.2 indicates that 4-丁基苯甲酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-丁基苯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-丁基苯甲酸甲酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-丁基苯甲酸甲酯?
The CAS number of 4-丁基苯甲酸甲酯 is 20651-69-8.
What is the molecular formula of 4-丁基苯甲酸甲酯?
The molecular formula of 4-丁基苯甲酸甲酯 is C12H16O2.
What is the molecular weight of 4-丁基苯甲酸甲酯?
The molecular weight of 4-丁基苯甲酸甲酯 is 192.12 g/mol.
Where can I buy 4-丁基苯甲酸甲酯?
You can request a quote for 4-丁基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-丁基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-丁基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.